![Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate structure](/static/products/4285/428503-04-2.webp)
Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
TL;DR: Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 428503-04-2) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
Also Known As: butyl 4-(3-(benzofuran-2-carbonyl)thioureido)benzoate, butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate, butyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.5165 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 962.06805 |
Chemical Identifiers
| CAS Number | 428503-04-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 |
Product Overview
Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 428503-04-2), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: butyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate.
Chemical Property Profile of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
Property Insights of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
The XLogP value of 4.5165 indicates that Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The CAS number of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is 428503-04-2.
What is the molecular formula of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular formula of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is C21H20N2O4S.
What is the molecular weight of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular weight of Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is 396.11 g/mol.
Where can I buy Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
You can request a quote for Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.